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Diffusion of Interacting Particles in One dimension Deepak Kumar School of Physical Sciences Jawaharlal Nehru University New Delhi IITM, Chennai Nov. 9, 2008

Diffusion of Interacting Particles in One dimension

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Diffusion of Interacting Particles in One dimension. Deepak Kumar School of Physical Sciences Jawaharlal Nehru University New Delhi IITM, Chennai Nov. 9, 2008. Outline. Introduction and History Single Particle Diffusion: Role of Boundary conditions Two-Particle Problem - PowerPoint PPT Presentation

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Page 1: Diffusion of Interacting Particles in One dimension

Diffusion of Interacting Particles in One dimension

Deepak KumarSchool of Physical Sciences

Jawaharlal Nehru UniversityNew Delhi

IITM, ChennaiNov. 9, 2008

Page 2: Diffusion of Interacting Particles in One dimension

Outline• Introduction and History• Single Particle Diffusion: Role of Boundary conditions• Two-Particle Problem• Bethe’s Ansatz: N-Particle Solution• Tagged Particle Diffusion• Correlations• Applications

• Reference: Phys. Rev. E 78, 021133 (2008)

Page 3: Diffusion of Interacting Particles in One dimension

Introduction• The concept of ‘Single File Diffusion’ was

introduced in a biological context to describe flow of ions through channels in a cell membrane.

• These channels are crowded and narrow so that the ions diffuse effectively in one dimension and cannot go past each other.

• The lattice version of the problem was first considered by T. E. Harris (J. Appl. Probability 2, 323 (1965)

Page 4: Diffusion of Interacting Particles in One dimension

History• Harris showed that the hard-core interaction

introduces a qualitative new feature in the diffusion of particles in one dimension.

• Mean square displacement

• This result received a lot of attention, and has been derived using a number of physical arguments.

• Notably, Levitt used the exact methods of one-dimensional classical gas to obtain this result. Phys. Rev. A 8, 3050 (1973)

2/12 tx

Page 5: Diffusion of Interacting Particles in One dimension

Earlier Work• Numerical studies of the problem also showed

the sub-diffusive behavior of type under the condition of constant density of particles.

• (P. M. Richard, Phys. Rev. B 16, 1393, 1977; H. van Beijeren et al., Phys. Rev. B 28, 5711, 1983)

Now there are some exact results. Rödenbeck et al., (Phys. Rev. E 57, 4382, 1998) obtained the one-particle distribution function

for a nonzero density by averaging over initial positions. They obtained the above behavior.

2/1t

Page 6: Diffusion of Interacting Particles in One dimension

Earlier Work• Ch. Aslangul (Europhys. Lett. 44, 284, 1998)

gave the exact solution for N particles on a line with one initial condition: all particles are at one point at t=0.

• Here we give an exact solution for arbitrary initial conditions. We calculate one particle moments and two-particle correlation functions as expansion in powers of .2/1t

Page 7: Diffusion of Interacting Particles in One dimension

Single Particle Solution

]4

)(exp[41),(

)(

)()0,(;)(),(

);sin(or)cos(or)(

)(),(

),(;0),(),(

),(),(

20

0

2

2

2

0

2

Dtxx

DttxP

ekA

xxxPekdkAtxP

Dkkxkxex

xetxPxPDtxJ

xtxJ

ttxP

xtxPD

ttxP

ikx

tDkikx

ikx

t

Page 8: Diffusion of Interacting Particles in One dimension

Single Particle Diffusion

)(}]4

)(exp{}4

)([exp{41),(

)sin()(;)sin()(

0),0( :conditionBoundary 0at xAbsorber

)(]}4

)(exp[]4

)({exp[41

)cos()();cos()(),(

0/),(condition;Boundary 0at Wall

22

0

20

20

0

0

2

2

xDtXx

DtXx

DttxP

kxkAekxx

tP

xDtxx

Dtxx

Dt

kxkAkxekdkAtxP

xtxPx

tDk

tDk

Page 9: Diffusion of Interacting Particles in One dimension

Two Particle Solution

)(21

21

22

21

)()(212121

21021

2121

2121

21

21

2211

21122211

21

),(

Xwith ])(exp[

])[,(),,(

;0)- (:ConditionBoundary

Meetingon Reflect Particles :nInteractio Core-Hard

)()()0,,(

),,()(),,(

XkXki

xkxkixkxki

xx

ekkA

XtkkD

eekkAdkdktxxQ

xxyyQ

xQ

xQ

XxXxxxQ

txxQxx

Dt

txxQ

Page 10: Diffusion of Interacting Particles in One dimension

Two Particle Solution

agnet.antiferroman of sexcitation ofcontext in thesolution particle two thenggeneralizi

by problem quantum particle-N theessentialy solved Bethe.at conditionsboundary quantum theusingby obtained

isfactor phase The .degenerate are here added solutions twoThe

][),(),,(

isxfor bosons identical of problem quantum for theSolution

)()]4

)()(exp(

)4

)()([exp(4

1),,(

21

),(2/)(212121

21

12

212

221

222

211

21

122121221122

21

xx

eeeekkAdkdktxx

x

xxDt

XxXxDt

XxXxDt

txxQ

xikxikkkixikxikmtkki

Page 11: Diffusion of Interacting Particles in One dimension

Two Vicious Walkers

)(}]4

)(4

)(exp{

}4

)(4

)([exp{4

1),,Q(x

0|),,Q(x :conditionBoundary meeting.on other each annhilate Walkers

12

212

221

222

211

21

21 21

xxDtXx

DtXx

DtXx

DtXx

Dttx

tx xx

Page 12: Diffusion of Interacting Particles in One dimension

N-Particle Solution

Page 13: Diffusion of Interacting Particles in One dimension

N-Particle Distribution Function

Page 14: Diffusion of Interacting Particles in One dimension

Tagged Particle Diffusion

Page 15: Diffusion of Interacting Particles in One dimension

Large Time Expansion

Page 16: Diffusion of Interacting Particles in One dimension

Mean Displacement

Page 17: Diffusion of Interacting Particles in One dimension

Mean Displacement

Page 18: Diffusion of Interacting Particles in One dimension

Mean Square Displacement

Page 19: Diffusion of Interacting Particles in One dimension

Correlations rkkN xxrkkC ),(

Page 20: Diffusion of Interacting Particles in One dimension

Correlations

Page 21: Diffusion of Interacting Particles in One dimension

Correlations: Central Particle to Others

Page 22: Diffusion of Interacting Particles in One dimension

Correlations: End Particle to Others

Page 23: Diffusion of Interacting Particles in One dimension

An Open Problem

The N particle solution obtained by us and Aslangul shows that the one-particle moments behave as

but the coefficients vanish as N tends to infinity. It is not clear what emerges in the infinite N limit. Properly one should take a finite line and the go over to nonzero density limit.

However, in the present calculations some further conditions like constant density or averaging over initial conditions are imposed, to obtain the sub-diffusive behavior.

2/);( mN

mi tmiDx

);( miDN

Page 24: Diffusion of Interacting Particles in One dimension

Experiments• Diffusion of colloidal particles has been studied in

one-dimensional channels constructed by photolithography (Wei et al., Science 287, 625,2000; Lin et al., Phys. Rev. Lett. 94, 216001, 2005) and by optical tweezers (Lutz et al., Phys. Rev. Lett. 93, 026001, 2004).

• Diffusion of water molecules through carbon nanotubes (Mukharjee et al., Nanosci. Nanotechnol. 7, 1, 2007)

• The experiments track the trajectories of single particles and show a transition from normal behaviour at short times to sub-diffusive behavior at large times.

Page 25: Diffusion of Interacting Particles in One dimension

Applications: Single File DiffusionBiological Applications1. Flow of ions and water through molecular-sized channels in

membranes.2. Sliding proteins along DNA3. Collective behaviour of biological motors

Physical and Chemical Applications4. Transport of adsorbate molecules through pores in zeolites5. Carrier migration in polymers and superionic conductors6. Particle flows in microfluidic devices7. Migration of adsorbed molecules on surfaces8. Highway traffic flows

Page 26: Diffusion of Interacting Particles in One dimension

• Thank You

Page 27: Diffusion of Interacting Particles in One dimension

HistoryThis problem was first investigated on a linear lattice by T. E. Harris. (J.

Appl. Prob. 2, 323, 1965). He obtained a qualitatively nontrivial and important result, i.e.

subdiffusive behaviour of a tagged particle.

He derived the result for an infinite number of particles on an infinite lattice with finite density.

Many workers rederived this result in many ways and checked it numerically for systems with uniform density. Some experiments have investigated the diffusion of colloidal particle through 1D channels created by photolithography or optical tweezers. Another experiment has studied the water diffusion through carbon nanotubes. There is good support for the subdiffusive behaviour.

2/12 txi

Page 28: Diffusion of Interacting Particles in One dimension

Random Thoughts

Life as a random walk

Embrace Randomness

Thank you

Page 29: Diffusion of Interacting Particles in One dimension

Diffusion of Interacting Particles in One Dimension

Outline1. Random Walk and Diffusion2. Boundary Conditions: Method of Images3. Two Interacting Particles on a Line4. N Interacting Particles: Bethe’s Ansatz5. Tagged Particle Diffusion6. Correlations in Non-equilibrium Assembly7. Physical Applications Reference: Phys. Rev. E 78, 021133 (2008)

Page 30: Diffusion of Interacting Particles in One dimension

Random Walk and DiffusionA particle jumps in each step a distance ‘a’ to the right or to the left

on a line with equal probability. Displacement X after N steps

2

2

2

22

2

222

),(),(2

),(),(),(

)],(),([21)1,(

),( t,or time steps Nafter Xat being ofy Probabilit/

;/

0

xtxPD

ttxP

XPatXP

tPtXPtXP

NaXPNaXPNXP

NXPaD

NtDttaNaX

X

xXi

i

Page 31: Diffusion of Interacting Particles in One dimension

Single Particle Solution

)(]}4

)(exp[]4

)({exp[41

)cos()();cos()(),(

0/),(condition;Boundary ;0at Wall

]4

)(exp[41),(

)(

)()0,(;)(),(

);sin(or)cos(or)(

)(),(

0),(),(;),(),(

20

20

0

0

20

0

2

2

2

2

0

2

xDtxx

Dtxx

Dt

kxkAkxekdkAtxP

xtxPxDtxx

DttxP

ekA

xxxPekdkAtxP

Dkkxkxex

xetxPxtxJ

ttxP

xtxPD

ttxP

tDk

ikx

tDkikx

ikx

t

Page 32: Diffusion of Interacting Particles in One dimension

Two Particle Solution

21021

222

211

21

)(212121

22

21

)(212121

2121

21

21

;0)- (:ConditionBoundary

Meetingon Reflect Particles :nInteractio Core-Hard

]4

)(4

)(exp[4

1),,(

),();()()0,,(

)](exp[),(),,(

Particles ginteractin-Non

),,()(),,(

21

2211

2211

xxyyQ

xQ

xQ

DtXx

DtXx

DttxxQ

ekkAXxXxxxQ

kkDekkAdkdktxxQ

txxQxx

Dt

txxQ

xx

XkXki

xkxki

Page 33: Diffusion of Interacting Particles in One dimension

Two Particle Solution

21021

222

211

21

)(212121

22

21

)(212121

2121

21

21

;0)- (:ConditionBoundary

Meetingon Reflect Particles :nInteractio Core-Hard

]4

)(4

)(exp[4

1),,(

),();()()0,,(

)](exp[),(),,(

Particles ginteractin-Non

),,()(),,(

21

2211

2211

xxyyQ

xQ

xQ

DtXx

DtXx

DttxxQ

ekkAXxXxxxQ

kkDekkAdkdktxxQ

txxQxx

Dt

txxQ

xx

XkXki

xkxki

Page 34: Diffusion of Interacting Particles in One dimension

Two Particle Solution

21021

222

211

21

)(212121

22

21

)(212121

2121

21

21

;0)- (:ConditionBoundary

Meetingon Reflect Particles :nInteractio Core-Hard

]4

)(4

)(exp[4

1),,(

),();()()0,,(

)](exp[),(),,(

Particles ginteractin-Non

),,()(),,(

21

2211

2211

xxyyQ

xQ

xQ

DtXx

DtXx

DttxxQ

ekkAXxXxxxQ

kkDekkAdkdktxxQ

txxQxx

Dt

txxQ

xx

XkXki

xkxki

Page 35: Diffusion of Interacting Particles in One dimension

Two Particle Solution

agnet.antiferroman of sexcitation ofcontext in thesolution particle two thenggeneralizi

by problem quantum particle-N theessentialy solved Bethe.at conditionsboundary quantum theusingby obtained

isfactor phase The .degenerate are here added solutions twoThe

][),(),,(

isxfor bosons identical of problem quantum for theSolution

)()]4

)()(exp(

)4

)()([exp(4

1),,(

, andcondition initialearlier with the

][),(),,(

21

),(2/)(212121

21

12

212

221

222

211

21

21

)(212121

122121221122

21

1221221122

21

xx

eeeekkAdkdktxx

x

xxDt

XxXxDt

XxXxDt

txxQ

XX

eeekkAdkdktxxQ

xikxikkkixikxikmtkki

xikxikxikxiktkkD